Crystallography Open Database

Information card for entry 7233129

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Coordinates	7233129.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H24 N2 O7
Calculated formula	C18 H14 N2 O7
SMILES	[n+]1(Cc2cccc(C(=O)[O-])c2)ccc(cc1)c1ccncc1.O.O.O.O.O
Title of publication	Tunable solid-state photoluminescence based on proton-triggered structural transformation of 4,4'-bipyridinium derivative
Authors of publication	Xue-Jun Zhou; Cheng Chen; Cai-Xia Ren; Jian-Ke Sun; Jie Zhang
Journal of publication	Journal of Materials Chemistry C
Year of publication	2013
Journal volume	1
Pages of publication	744 - 750
a	27.357 ± 0.005 Å
b	8.6859 ± 0.0008 Å
c	18.312 ± 0.003 Å
α	90°
β	119.076 ± 0.007°
γ	90°
Cell volume	3802.9 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1174
Residual factor for significantly intense reflections	0.0701
Weighted residual factors for significantly intense reflections	0.2041
Weighted residual factors for all reflections included in the refinement	0.28
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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